⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29154227 | 0.76 | — | — | |
| SCHEMBL5850250 | 0.76 | — | — | |
| SCHEMBL15338317 | 0.68 | — | — | |
| SCHEMBL15457844 | 0.66 | — | — | |
| SCHEMBL21936495 | 0.65 | — | — | |
| SCHEMBL7339316 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL1899979 | 0.64 | — | — | |
| SCHEMBL9688112 | 0.64 | — | — | |
| SCHEMBL1072385 | 0.63 | — | — | |
| SCHEMBL28246896 | 0.62 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015160772-A1 | TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 | JANSSEN PHARMACEUTICA NV (BE) | 2015-10-22 | — | — | WO | disclosed |
| EP-2585462-A1 | FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2013-05-01 | — | — | EP | disclosed |
| WO-2011163355-A1 | FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-12-29 | — | — | WO | disclosed |